2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine

C12H18BrNO2 — CID 117465308

IUPAC2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
SMILESCNCCc1c(OC)cc(C)c(OC)c1Br
InChIInChI=1S/C12H18BrNO2/c1-8-7-10(15-3)9(5-6-14-2)11(13)12(8)16-4/h7,14H,5-6H2,1-4H3
InChIKeyXILQBZGRHRVXLM-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine

2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 117465308) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
PubChem CID117465308
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
SMILESCNCCc1c(OC)cc(C)c(OC)c1Br
InChIInChI=1S/C12H18BrNO2/c1-8-7-10(15-3)9(5-6-14-2)11(13)12(8)16-4/h7,14H,5-6H2,1-4H3
InChIKeyXILQBZGRHRVXLM-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-N-methylethanamine
CID 117435826
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
CID 117437713
2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117465307
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-(3-bromo-6-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902100
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine (CID 117465308) is 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine is CNCCc1c(OC)cc(C)c(OC)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is XILQBZGRHRVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8-7-10(15-3)9(5-6-14-2)11(13)12(8)16-4/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine?
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 288.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 117465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).